(7S,9S)-9-Glycoloyl-6,9,11-trihydroxy-4-methoxy-7-{[(1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-7,9,10,12-tetrahydro-5(8H)-tetracen one | CAS No. 202350-68-3

(7S,9S)-9-Glycoloyl-6,9,11-trihydroxy-4-methoxy-7-{[(1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-7,9,10,12-tetrahydro-5(8H)-tetracen one

Basic Information

CAS Number

202350-68-3

Molecular Formula

C32H35NO13

Molecular Weight

641.63 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (5.1E-3 g/L) (25 ºC),

COC1=C(C2=CC=C1)C(C3=C(C2=O)C(O)=C4C([C@H](C[C@@](O)(C4)C(CO)=O)O[C@H]5C[C@H]6[C@@H]([C@@H](O5)C)O[C@H]7N6CCO[C@@H]7OC)=C3O)=O

InChI

InChI=1S/C32H35NO13/c1-13-29-16(33-7-8-43-31(42-3)30(33)46-29)9-20(44-13)45-18-11-32(40,19(35)12-34)10-15-22(18)28(39)24-23(26(15)37)25(36)14-5-4-6-17(41-2)21(14)27(24)38/h4-6,13,16,18,20,29-31,34,37,39-40H,7-12H2,1-3H3/t13-,16-,18-,20-,29+,30+,31-,32-/m0/s1

InChIKey

SLURUCSFDHKXFR-WWMWMSKMSA-N

LogP

0.7112999999999998

Topological Polar Surface Area

190.74999999999997 Ų

Hydrogen Bond Donor/Acceptor

4 / 14

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • PNU159682
  • 3'-deamino-3'',4'-anhydro-[2''(S)-methoxy-3''(R)-oxy-4''-morpholinyl]doxorubicin
  • PNU-159682
  • (8S,10S)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-5,12-naphthacenedione

MDL Number

MFCD12756329

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